methyl N-[(3-bromanyl-4-butoxy-phenyl)carbonylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[(3-bromanyl-4-butoxy-phenyl)carbonylcarbamothioylamino]carbamate Openeye Name: methyl N-[(3-bromo-4-butoxy-benzoyl)carbamothioylamino]carbamate CAS Name: N-[[[[(3-bromo-4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(3-bromo-4-butoxybenzoyl)carbamothioylamino]carbamate Traditional Name: N-[(3-bromo-4-butoxy-benzoyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C14H18BrN3O4S MolecularWeight: 404.27942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)OC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)OC)Br

InChI

InChI=1S/C14H18BrN3O4S/c1-3-4-7-22-11-6-5-9(8-10(11)15)12(19)16-13(23)17-18-14(20)21-2/h5-6,8H,3-4,7H2,1-2H3,(H,18,20)(H2,16,17,19,23)